cleanup of centos and buildah images

Author: tdudgeon

Dockerfile-java-centos

@@ -8,15 +8,16 @@ RUN yum update -y &&\
   sed -i 's/enabled=0/enabled=1/' /etc/yum.repos.d/CentOS-Linux-PowerTools.repo &&\
   yum install -y --setopt=tsflags=nodocs --setopt=override_install_langs=en_US.utf8\
   java-11-openjdk-headless\
-  boost\
   boost-system\
   boost-thread\
   boost-serialization\
   boost-regex\
   boost-chrono\
   boost-date-time\
   boost-atomic\
-  boost-iostreams &&\
+  boost-iostreams\
+  procps-ng\
+  freetype &&\
   yum clean all &&\
   rm -rf /var/cache/yum
 
@@ -28,7 +29,7 @@ RUN rpm --nodeps -iv /tmp/*.rpm && rm -f /tmp/*.rpm
 
 WORKDIR / 
 
-ENV JAVA_HOME /usr/lib/jvm/java-11-openjdk-amd64
+ENV JAVA_HOME=/usr/lib/jvm/java-11-openjdk-amd64
 ENV LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/rdkit/gmwrapper
 ENV CLASSPATH=/rdkit/gmwrapper/org.RDKit.jar
 ENV RDBASE=/usr/share/RDKit

Dockerfile-python3-centos

@@ -14,9 +14,17 @@ RUN yum update -y &&\
  python3-pip\
  python3-setuptools\
  python3-six\
- boost\
+ boost-system\
+ boost-thread\
+ boost-serialization\
+ boost-regex\
+ boost-chrono\
+ boost-date-time\
+ boost-atomic\
+ boost-iostreams\
  boost-python3\
- freetype &&\
+ freetype\
+ procps-ng &&\
  yum clean -y all &&\
  rm -rf /var/cache/yum
 

buildah/Dockerfile-buildah

@@ -7,32 +7,36 @@ FROM centos:8
 LABEL maintainer="Tim Dudgeon<[email protected]>"
 
 
-RUN yum -y update &&\
+RUN yum install -y\
+    --setopt=tsflags=nodocs\
+    --setopt=override_install_langs=en_US.utf8\
+    epel-release &&\
+  yum -y update &&\
   sed -i 's/enabled=0/enabled=1/' /etc/yum.repos.d/CentOS-Linux-PowerTools.repo &&\
   yum install -y\
-  --setopt=tsflags=nodocs\
-  --setopt=override_install_langs=en_US.utf8\
-  tk-devel\
-  readline-devel\
-  zlib-devel\
-  bzip2-devel\
-  sqlite-devel\
-  @development\
-  cmake3\
-  python3-devel\
-  python3-numpy\
-  boost-devel\
-  boost-python3-devel\
-  eigen3-devel\
-  java-11-openjdk-devel\
-  swig\
-  git\
-  wget\
-  zip\
-  unzip\
-  freetype-devel\
-  cairo-devel\
-  buildah &&\
+    --setopt=tsflags=nodocs\
+    --setopt=override_install_langs=en_US.utf8\
+    tk-devel\
+    readline-devel\
+    zlib-devel\
+    bzip2-devel\
+    sqlite-devel\
+    @development\
+    cmake3\
+    python3-devel\
+    python3-numpy\
+    boost-devel\
+    boost-python3-devel\
+    eigen3-devel\
+    java-11-openjdk-devel\
+    swig\
+    git\
+    wget\
+    zip\
+    unzip\
+    freetype-devel\
+    cairo-devel\
+    buildah &&\
   yum clean all &&\
   rm -rf /var/cache/yum
 

buildah/Dockerfile-cartridge

@@ -1,13 +1,13 @@
 # Buildah builds for RDkit
 
-This directory contains scripts for using [buildah](https://buildah.io/) to build minimal RDKit Python3 images.
-These are based on Fedora as a base OS (because of RDKit's requirement for a modern version of boost that
-is not present in the current Centos7 OS - we may switch back to using Centos once this is resolved and Centos
-support for Python3 is improved).
+This directory contains scripts for using [buildah](https://buildah.io/) to build minimal RDKit Python3 and Java images.
+These are based on Centos8. The images should be functionally equivalent to the ones built with "classic" approach in
+top level directory, but are significantly smaller. We expect that these images will replace the "classic" ones at some
+stage and we may do the same for the Debian based images as well.
 
 The build is done in a Docker container to provide a consistent build environment.
 
-The resulting `buildah` image can be pushed to Docker and then run as a standard container image for Docker and other
+The resulting `buildah` images can be pushed to Docker and then run as a standard container image for Docker and other
 container runtimes. 
 
 ## To build
@@ -27,11 +27,7 @@ looks for images and containers. Also note that this runs as a privleged contain
 
 You should see a bash prompt from inside the container.
 
-### Run the build
-Define the `RDKIT_BRANCH` environment variable that specifies the RDKit branch to use:
-```
-export RDKIT_BRANCH=Release_2018_09_3
-```
+### Run the Python build
 
 Build RDKit from the source code on that branch:
 
@@ -45,17 +41,23 @@ Build the container image:
 ./buildah-python3-image.sh
 ```
 
-Note: the two previous steps can be run using this one command: `buildah-python3.sh`
-
 Check the output of the last step for the precise details of what to push.
 The command listed below is just an example.
 You need to do this from the host machine (not inside the container):
 ```
-sudo buildah push informaticsmatters/rdkit-python3-mini:Release_2018_03_2 docker-daemon:informaticsmatters/rdkit-python3-mini:Release_2018_03_2
+sudo buildah push informaticsmatters/rdkit-python3-mini:latest docker-daemon:informaticsmatters/rdkit-python3-mini:latest
 ```
 
-## RDKit cartridge build
+### Run the Java build
+
+The process is the same as for the Python image, just use the files with -java- rather than -python3-
+
+
+## Image sizes
+
+These images are significantly smaller than the "classic" onces for Centos.
+
+The Python image is 657MB compared with 741MB.
+The Java image is 519MB compared with 848MB.
 
-This directory also contains files related to building the RDKit cartridge in a similar manner.
-These files are not yet operational and should be ignored.